| Record Information |
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| Version | 2.0 |
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| Created at | 2025-07-15 15:45:28 UTC |
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| Updated at | 2025-07-17 00:02:02 UTC |
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| NP-MRD ID | NP0351320 |
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| Natural Product DOI | https://doi.org/10.57994/4327 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 9-O-α-D-glucose-aspyranochromenone A |
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| Description | 9-O-α-D-glucose-aspyranochromenone A was first documented in 2025 (PMID: 40616830). Based on a literature review very few articles have been published on 9-O-α-D-glucose-aspyranochromenone A. |
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| Structure | C[C@@H]1CC(=O)C=C(O1)C1=CC2=C(CO[C@H]3O[C@H](CO)[C@@H](O)C(O)[C@H]3O)C(C)=C(O)C(O)=C2OC1=O InChI=1S/C23H26O12/c1-8-3-10(25)4-14(33-8)12-5-11-13(9(2)16(26)19(29)21(11)35-22(12)31)7-32-23-20(30)18(28)17(27)15(6-24)34-23/h4-5,8,15,17-18,20,23-24,26-30H,3,6-7H2,1-2H3/t8-,15-,17-,18?,20-,23+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C23H26O12 |
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| Average Mass | 494.4490 Da |
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| Monoisotopic Mass | 494.14243 Da |
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| IUPAC Name | 7,8-dihydroxy-6-methyl-3-[(2R)-2-methyl-4-oxo-3,4-dihydro-2H-pyran-6-yl]-5-({[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H-chromen-2-one |
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| Traditional Name | 7,8-dihydroxy-6-methyl-3-[(6R)-6-methyl-4-oxo-5,6-dihydropyran-2-yl]-5-({[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)chromen-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H]1CC(=O)C=C(O1)C1=CC2=C(CO[C@H]3O[C@H](CO)[C@@H](O)C(O)[C@H]3O)C(C)=C(O)C(O)=C2OC1=O |
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| InChI Identifier | InChI=1S/C23H26O12/c1-8-3-10(25)4-14(33-8)12-5-11-13(9(2)16(26)19(29)21(11)35-22(12)31)7-32-23-20(30)18(28)17(27)15(6-24)34-23/h4-5,8,15,17-18,20,23-24,26-30H,3,6-7H2,1-2H3/t8-,15-,17-,18?,20-,23+/m1/s1 |
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| InChI Key | UJYIDZKLFXLTIR-ZCRXLDEBSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| COSY NMR | [1H, 1H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 175.0 MHz, C2D6OS, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700.0 MHz, C2D6OS, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | Chemical Shift Submissions |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 700.0, C2D6OS, simulated) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 175.0, C2D6OS, simulated) | 3201008013@smu.edu.cn | Southern Medical University | Chun Yang | 2025-07-15 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Penicillium steckii SCSIO41025 | | |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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